ethane;pyrrole-2,5-dione;pyrrolidine-2,5-dione

C12H20N2O4 — CID 159107221

IUPACethane;pyrrole-2,5-dione;pyrrolidine-2,5-dione
SMILESCC.CC.O=C1C=CC(=O)N1.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C4H3NO2.2C2H6/c2*6-3-1-2-4(7)5-3;2*1-2/h1-2H2,(H,5,6,7);1-2H,(H,5,6,7);2*1-2H3
InChIKeyKEAPZXUFTOBCDC-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.67
Rot. Bonds

About ethane;pyrrole-2,5-dione;pyrrolidine-2,5-dione

ethane;pyrrole-2,5-dione;pyrrolidine-2,5-dione (PubChem CID 159107221) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethane;pyrrole-2,5-dione;pyrrolidine-2,5-dione.

Molecular Properties

Compound Nameethane;pyrrole-2,5-dione;pyrrolidine-2,5-dione
PubChem CID159107221
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nameethane;pyrrole-2,5-dione;pyrrolidine-2,5-dione
SMILESCC.CC.O=C1C=CC(=O)N1.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C4H3NO2.2C2H6/c2*6-3-1-2-4(7)5-3;2*1-2/h1-2H2,(H,5,6,7);1-2H,(H,5,6,7);2*1-2H3
InChIKeyKEAPZXUFTOBCDC-UHFFFAOYSA-N
XLogP0.67
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-Methylpyrrolidine-2,5-dione;pyrrole-2,5-dione
CID 19793657
1-Hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione
CID 19989411
N-[4-(2,5-dioxopyrrolidin-1-yl)-4-oxobutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 57552398
3-Methylidenepyrrolidine-2,5-dione;3-methylpyrrole-2,5-dione
CID 66838839
Pyrrole-2,5-dione;pyrrolidine-2,5-dione
CID 67242374
Azane;pyrrole-2,5-dione;pyrrolidine-2,5-dione
CID 69713789
(2,5-Dioxopyrrolidin-1-yl) acetate;pyrrole-2,5-dione
CID 87683063
(2,5-Dioxopyrrolidin-1-yl) propanoate;pyrrole-2,5-dione
CID 118571190
(2,5-Dioxopyrrolidin-1-yl) butanoate;pyrrole-2,5-dione
CID 139513214
Prop-2-enamide;pyrrolidine-2,5-dione
CID 141499533
Ethane;1-methylpyrrole-2,5-dione;1-methylpyrrolidine-2,5-dione;propane
CID 143382307
1-Aminooxypyrrolidine-2,5-dione;1-methoxypyrrole-2,5-dione
CID 153336194

Frequently Asked Questions

What is the IUPAC name of ethane;pyrrole-2,5-dione;pyrrolidine-2,5-dione?
The IUPAC name of ethane;pyrrole-2,5-dione;pyrrolidine-2,5-dione (CID 159107221) is ethane;pyrrole-2,5-dione;pyrrolidine-2,5-dione.
What is the SMILES notation for ethane;pyrrole-2,5-dione;pyrrolidine-2,5-dione?
The canonical SMILES for ethane;pyrrole-2,5-dione;pyrrolidine-2,5-dione is CC.CC.O=C1C=CC(=O)N1.O=C1CCC(=O)N1.
What is the InChIKey of ethane;pyrrole-2,5-dione;pyrrolidine-2,5-dione?
The InChIKey is KEAPZXUFTOBCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C4H3NO2.2C2H6/c2*6-3-1-2-4(7)5-3;2*1-2/h1-2H2,(H,5,6,7);1-2H,(H,5,6,7);2*1-2H3.
What are the key properties of ethane;pyrrole-2,5-dione;pyrrolidine-2,5-dione?
ethane;pyrrole-2,5-dione;pyrrolidine-2,5-dione has a molecular weight of 256.30 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyrrole-2,5-dione;pyrrolidine-2,5-dione is sourced from PubChem (CID 159107221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).